3-(5-bromanylthiophen-2-yl)-N-(cyclohexylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide

Systemtic Name: 3-(5-bromanylthiophen-2-yl)-N-(cyclohexylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide Openeye Name: 3-(5-bromo-2-thienyl)-N-(cyclohexylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide CAS Name: 3-(5-bromo-2-thiophenyl)-N-(cyclohexylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide IUPAC Name: 3-(5-bromothiophen-2-yl)-N-(cyclohexylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide Traditional Name: 5-(5-bromo-2-thienyl)-N-(cyclohexylmethyl)-1-(2,4-dichlorophenyl)-2-pyrazoline-3-carboxamide Formula: C21H22BrCl2N3OS MolecularWeight: 515.29388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=NN(C(C2)C3=CC=C(S3)Br)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=NN(C(C2)C3=CC=C(S3)Br)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H22BrCl2N3OS/c22-20-9-8-19(29-20)18-11-16(21(28)25-12-13-4-2-1-3-5-13)26-27(18)17-7-6-14(23)10-15(17)24/h6-10,13,18H,1-5,11-12H2,(H,25,28)